4-[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]butanoic acid

Systemtic Name: 4-[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]butanoic acid Openeye Name: 4-(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-2-yl)butanoic acid CAS Name: 4-(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)butanoic acid IUPAC Name: 4-(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)butanoic acid Traditional Name: 4-(1,1-diketo-6-nitro-2,3-dihydrobenzothiophen-2-yl)butyric acid Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(S(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

C1C(S(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C12H13NO6S/c14-12(15)3-1-2-10-6-8-4-5-9(13(16)17)7-11(8)20(10,18)19/h4-5,7,10H,1-3,6H2,(H,14,15)